Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Propanol SCHEMBL4461813 | 0.93 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL430986 | 0.92 | — | — | |
| SCHEMBL899769 | 0.92 | — | — | |
| Propanol SCHEMBL3963638 | 0.86 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Alcohol SCHEMBL4462663 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| Alcohol SCHEMBL5707793 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| Undecanol SCHEMBL6824755 | 0.82 | LMNA (0.54) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| SCHEMBL14036835 | 0.82 | LMNA (0.33) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5017296 | 0.80 | ALDH1A1 (0.32) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| SCHEMBL778008 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5846453-A | Process for producing oligoamines or polyamines | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |
| EP-0784645-A1 | PROCESS FOR PRODUCING OLIGOAMINES OR POLYAMINES | BASF AKTIENGESELLSCHAFT (DE) | 1997-07-23 | — | — | EP | disclosed |
| WO-1996011225-A1 | PROCESS FOR PRODUCING OLIGOAMINES OR POLYAMINES | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-18 | — | — | WO | disclosed |